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CHEBI:42462 - (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID

Default Structure
ChEBI IDCHEBI:42462
ChEBI Name(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC41H55N5O8
Net Charge0
Average Mass745.918
Monoisotopic Mass745.40506
SMILES[H]OC(=O)[C@@]([H])(c1c([H])c([H])c([H])c([H])c1[H])N([H])C(=O)C([H])([H])N([H])C(=O)C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C(=O)[C@]([H])(C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])c2c([H])c([H])c([H])c(c2[H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C41H55N5O8/c1-2-15-31(37(49)40(52)42-26-34(48)46-36(41(53)54)30-21-11-7-12-22-30)43-38(50)32-25-28-18-14-17-27(24-28)16-8-4-3-5-13-23-33(47)45-35(39(51)44-32)29-19-9-6-10-20-29/h7,11-12,14,17-18,21-22,24,29,31-32,35-36H,2-6,8-10,13,15-16,19-20,23,25-26H2,1H3,(H,42,52)(H,43,50)(H,44,51)(H,45,47)(H,46,48)(H,53,54)/t31-,32-,35-,36+/m0/s1
InChIKeyMRGBFMHIJSOQIX-IMJQVECRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID (CHEBI:42462) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACIDPDBeChem
(2R)-({N-[(3S)-3-({[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acidPDBeChem
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